potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate

C20H19KN4O2 — CID 139881691

IUPACpotassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCCN(CC)c1nc(-c2cccnc2)nc(-c2ccccc2)c1C(=O)[O-].[K+]
InChIInChI=1S/C20H20N4O2.K/c1-3-24(4-2)19-16(20(25)26)17(14-9-6-5-7-10-14)22-18(23-19)15-11-8-12-21-13-15;/h5-13H,3-4H2,1-2H3,(H,25,26);/q;+1/p-1
InChIKeyQVIKBWFGSYNVES-UHFFFAOYSA-M
MW386.50 g/mol
LogP-0.58
Rot. Bonds6

About potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate

potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate (PubChem CID 139881691) has the molecular formula C20H19KN4O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namepotassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate
PubChem CID139881691
Molecular FormulaC20H19KN4O2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Namepotassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate
SMILESCCN(CC)c1nc(-c2cccnc2)nc(-c2ccccc2)c1C(=O)[O-].[K+]
InChIInChI=1S/C20H20N4O2.K/c1-3-24(4-2)19-16(20(25)26)17(14-9-6-5-7-10-14)22-18(23-19)15-11-8-12-21-13-15;/h5-13H,3-4H2,1-2H3,(H,25,26);/q;+1/p-1
InChIKeyQVIKBWFGSYNVES-UHFFFAOYSA-M
XLogP-0.58
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-pentoxy-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 139881748
ethyl N-[2-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]acetyl]carbamate
CID 9113445
disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)
CID 139881687
3-[ethyl-(2-pyridin-3-ylquinazolin-4-yl)amino]propanenitrile
CID 133344856
4-chloro-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine
CID 66294143
4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
CID 104845792
N-ethyl-N-methyl-4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 126635045
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetic acid
CID 166237581
N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 59580833
3-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064846
6-[(S)-butylsulfinyl]-4-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-5-amine
CID 142485744
2-[(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 166186006

Frequently Asked Questions

What is the IUPAC name of potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate?
The IUPAC name of potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate (CID 139881691) is potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate.
What is the SMILES notation for potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate?
The canonical SMILES for potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate is CCN(CC)c1nc(-c2cccnc2)nc(-c2ccccc2)c1C(=O)[O-].[K+].
What is the InChIKey of potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate?
The InChIKey is QVIKBWFGSYNVES-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20N4O2.K/c1-3-24(4-2)19-16(20(25)26)17(14-9-6-5-7-10-14)22-18(23-19)15-11-8-12-21-13-15;/h5-13H,3-4H2,1-2H3,(H,25,26);/q;+1/p-1.
What are the key properties of potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate?
potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate has a molecular weight of 386.50 g/mol, XLogP of -0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 139881691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).